cyanomethyl (E)-3-[3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-ethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]acrylic acid cyanomethyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC#N)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O2/c1-2-18-8-10-20(11-9-18)23-21(12-13-22(27)28-15-14-24)17-26(25-23)16-19-6-4-3-5-7-19/h3-13,17H,2,15-16H2,1H3/b13-12+